F390-0031 Screening compound: N~2~-{4-[2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]phenyl}-2-furamide

F390-0031 Screening compound: N~2~-{4-[2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]phenyl}-2-furamide
F390-0031 Screening compound: N~2~-{4-[2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]phenyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F390-0031
N~2~-{4-[2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]phenyl}-2-furamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F390-0031

Molecular Formula

C26H18N2O5S (C26 H18 N2 O5 S)

Compound Name

N~2~-{4-[2-benzoyl-1,1-dioxo-1lambda~6~,4-benzothiazin-4(1H)-yl]phenyl}-2-furamide

IUPAC name

N-[4-(2-benzoyl-11-dioxo-4H-1lambda64-benzothiazin-4-yl)phenyl]furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc(cc1)ccc1N(C=C1C(c2ccccc2)=O)c(cccc2)c2S1(=O)=O

InChI

InChI=1S/C26H18N2O5S/c29-25(18-7-2-1-3-8-18)24-17-28(21-9-4-5-11-23(21)34(24,31)32)20-14-12-19(13-15-20)27-26(30)22-10-6-16-33-22/h1-17H,(H,27,30)

InChI Key

FKMIDODFNDPSDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.471

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.88

Polar Surface Area

76.087

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

F390-0031 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with F390-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F390-0031?
Check Price and Availability of F390-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F390-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F390-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F390-0031
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F390-0031 available by request